- InChI
- InChI=1S/C9H18O2/c1-4-6-7(3)8(5-2)9(10)11/h7-8H,4-6H2,1-3H3,(H,10,11)
- InChI Key
- KVHVVWNXJWZHGB-UHFFFAOYSA-N
- Formula
- C9H18O2
- SMILES
- CCCC(C)C(CC)C(=O)O
- Molecular Weight1
- 158.24
- CAS
- 74581-94-5
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6664 | Relay (1.0) Calculated Property | |
| ΔfG° | -323.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -589.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.533 | Crippen Calculated Property | |
| McVol | 145.110 | ml/mol | McGowan Calculated Property |
| Pc | 2558.51 | kPa | Joback Calculated Property |
| Tboil | 486.69 | K | Relay (1.0) Calculated Property |
| Tc | 692.82 | K | Relay (1.0) Calculated Property |
| Tfus | 250.82 | K | Relay (1.0) Calculated Property |
| Vc | 0.508 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [358.46; 429.42] | J/mol×K | [550.15; 740.40] | 
|
| Cp,gas | 358.46 | J/mol×K | 550.15 | Joback Calculated Property |
| Cp,gas | 371.87 | J/mol×K | 581.86 | Joback Calculated Property |
| Cp,gas | 384.61 | J/mol×K | 613.57 | Joback Calculated Property |
| Cp,gas | 396.72 | J/mol×K | 645.28 | Joback Calculated Property |
| Cp,gas | 408.20 | J/mol×K | 676.99 | Joback Calculated Property |
| Cp,gas | 419.10 | J/mol×K | 708.70 | Joback Calculated Property |
| Cp,gas | 429.42 | J/mol×K | 740.40 | Joback Calculated Property |
| η | [0.0002126; 0.0028144] | Pa×s | [321.79; 550.15] |
|
| η | 0.0028144 | Pa×s | 321.79 | Joback Calculated Property |
| η | 0.0014573 | Pa×s | 359.85 | Joback Calculated Property |
| η | 0.0008558 | Pa×s | 397.91 | Joback Calculated Property |
| η | 0.0005516 | Pa×s | 435.97 | Joback Calculated Property |
| η | 0.0003814 | Pa×s | 474.03 | Joback Calculated Property |
| η | 0.0002787 | Pa×s | 512.09 | Joback Calculated Property |
| η | 0.0002126 | Pa×s | 550.15 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [385.32; 552.97] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.44217e+01 | |||
| Coefficient B | -4.29700e+03 | |||
| Coefficient C | -8.13040e+01 | |||
| Temperature range, min. | 385.32 | |||
| Temperature range, max. | 552.97 | |||
| Pvap | 1.33 | kPa | 385.32 | Calculated Property |
| Pvap | 3.02 | kPa | 403.95 | Calculated Property |
| Pvap | 6.24 | kPa | 422.58 | Calculated Property |
| Pvap | 11.97 | kPa | 441.20 | Calculated Property |
| Pvap | 21.54 | kPa | 459.83 | Calculated Property |
| Pvap | 36.68 | kPa | 478.46 | Calculated Property |
| Pvap | 59.56 | kPa | 497.09 | Calculated Property |
| Pvap | 92.77 | kPa | 515.71 | Calculated Property |
| Pvap | 139.33 | kPa | 534.34 | Calculated Property |
| Pvap | 202.64 | kPa | 552.97 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Ethyl-3-methylhexanoic acid.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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